N-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine

C12H23N — CID 146359204

IUPACN-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine
SMILESCC/C=C\CCN(C(C)C)C1CC1
InChIInChI=1S/C12H23N/c1-4-5-6-7-10-13(11(2)3)12-8-9-12/h5-6,11-12H,4,7-10H2,1-3H3/b6-5-
InChIKeyVZJQGQOSHKBDJN-WAYWQWQTSA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds6

About N-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine

N-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine (PubChem CID 146359204) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine.

Molecular Properties

Compound NameN-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine
PubChem CID146359204
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine
SMILESCC/C=C\CCN(C(C)C)C1CC1
InChIInChI=1S/C12H23N/c1-4-5-6-7-10-13(11(2)3)12-8-9-12/h5-6,11-12H,4,7-10H2,1-3H3/b6-5-
InChIKeyVZJQGQOSHKBDJN-WAYWQWQTSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine
CID 123820949
(Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine
CID 153329757
N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine
CID 163433892
3-Fluoro-1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 166157450
6-fluoro-6-methyl-1-propan-2-yl-3,7-dihydro-2H-azepine
CID 169145427
1,1-Dimethyl-2,6-bis(prop-2-EN-1-YL)-1,2,3,6-tetrahydropyridin-1-ium
CID 7187916
5-methyl-N-isobutyl 3-pyrroline
CID 85572396
(E)-N,N-diethylpent-3-en-1-amine
CID 12610269
(Z)-N,N-diethylpent-3-en-1-amine
CID 12610270
(E)-N,N-diethylpent-3-en-2-amine
CID 13003598
N,N-di(propan-2-yl)but-3-en-1-amine
CID 13616118
(E)-N,N-dibutylpent-3-en-1-amine
CID 14226608

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine?
The IUPAC name of N-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine (CID 146359204) is N-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine.
What is the SMILES notation for N-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine?
The canonical SMILES for N-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine is CC/C=C\CCN(C(C)C)C1CC1.
What is the InChIKey of N-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine?
The InChIKey is VZJQGQOSHKBDJN-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H23N/c1-4-5-6-7-10-13(11(2)3)12-8-9-12/h5-6,11-12H,4,7-10H2,1-3H3/b6-5-.
What are the key properties of N-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine?
N-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine has a molecular weight of 181.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-3-enyl]-N-propan-2-ylcyclopropanamine is sourced from PubChem (CID 146359204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).